Information card for entry 2208979

Structure parameters

• Chemical name: 9-[4-(6-Bromo-4-phenylnaphthalen-2-yl)phenyl]-9H-carbazole
• Formula: C34 H22 Br N
• Calculated formula: C34 H22 Br N
• SMILES: c1cccc2c1n(c1ccccc21)c1ccc(cc1)c1cc2ccc(cc2c(c1)c1ccccc1)Br
• Title of publication: 9-[4-(6-Bromo-4-phenylnaphthalen-2-yl)phenyl]-9<i>H</i>-carbazole
• Authors of publication: Shou-Cai Zhang; Guang-Bo Che; Bo Liu
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 5
• Pages of publication: o1814 - o1815
• a: 15.9337 ± 0.0011 Å
• b: 10.8421 ± 0.0008 Å
• c: 28.542 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4930.8 ± 0.6 ų
• Cell temperature: 292 ± 2 K
• Ambient diffraction temperature: 292 ± 2 K
• Number of distinct elements: 4
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1174
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for significantly intense reflections: 0.0797
• Weighted residual factors for all reflections included in the refinement: 0.0964
• Goodness-of-fit parameter for all reflections included in the refinement: 0.783
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes